N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H32N4O3S/c1-22(2)19-10-9-17(28(26,27)24-13-7-4-8-14-24)15-18(19)21-20(25)16-23-11-5-3-6-12-23/h9-10,15H,3-8,11-14,16H2,1-2H3,(H,21,25)/p+1